4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid

C13H24N2O3 — CID 114425136

IUPAC4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid
SMILESCCCCCNC(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-4-5-7-14-13(18)15-8-6-10(2)9-11(15)12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyTXHZAWBLDQPRFU-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.07
Rot. Bonds5

About 4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid

4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid (PubChem CID 114425136) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid
PubChem CID114425136
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid
SMILESCCCCCNC(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-4-5-7-14-13(18)15-8-6-10(2)9-11(15)12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyTXHZAWBLDQPRFU-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 114422022
1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114425520
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114426023
1-hexanoyl-4-methylpiperidine-2-carboxylic acid
CID 114421742
4-methyl-1-(2-piperazin-1-ylethylcarbamoyl)piperidine-2-carboxylic acid
CID 114425328
(2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 27339570
4-methyl-1-(2-prop-2-enoxyethylcarbamoyl)piperidine-2-carboxylic acid
CID 114265002
4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid
CID 102907114
4-methyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid
CID 115867389
N-decyl-4-methylpiperidine-1-carboxamide
CID 116656754
2,4-dimethyl-N-propylpiperidine-1-carboxamide
CID 115644943

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid (CID 114425136) is 4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid is CCCCCNC(=O)N1CCC(C)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid?
The InChIKey is TXHZAWBLDQPRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-4-5-7-14-13(18)15-8-6-10(2)9-11(15)12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid?
4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114425136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).